USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 499 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= -2.93! K(o=-2.9!,f=-0.66) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -6.46! C(o=-6.5!,f=-10!) USER MOD Single : A 23 GLN : amide:sc= -0.277 K(o=-0.28,f=-2.9!) USER MOD Single : A 28 THR OG1 : rot 9:sc= -1.01! USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0211 USER MOD Single : A 34 GLN : amide:sc= -0.047 K(o=-0.047,f=-0.97) USER MOD Single : A 37 GLN : amide:sc= -2.09! C(o=-2.1!,f=-2.2!) USER MOD Single : A 38 GLN : amide:sc= -3.58! C(o=-3.6!,f=-5.3!) USER MOD Single : A 41 LYS NZ :NH3+ 145:sc= -0.0707 (180deg=-0.584) USER MOD Single : A 43 SER OG : rot 97:sc= -0.816 USER MOD Single : A 44 ASN : amide:sc= -0.128 K(o=-0.13,f=-0.66) USER MOD Single : A 46 ASN : amide:sc= -0.107 K(o=-0.11,f=-2.1!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= -1.6! K(o=-1.6!,f=-0.11) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 250 N GLN A 17 -16.309 2.357 29.570 1.00 0.00 N ATOM 251 CA GLN A 17 -16.004 1.914 30.928 1.00 0.00 C ATOM 252 C GLN A 17 -16.699 2.792 31.966 1.00 0.00 C ATOM 253 O GLN A 17 -17.214 2.292 32.966 1.00 0.00 O ATOM 254 CB GLN A 17 -14.491 1.946 31.162 1.00 0.00 C ATOM 255 CG GLN A 17 -13.964 0.516 31.296 1.00 0.00 C ATOM 256 CD GLN A 17 -12.451 0.496 31.108 1.00 0.00 C ATOM 257 OE1 GLN A 17 -11.960 0.708 29.999 1.00 0.00 O ATOM 258 NE2 GLN A 17 -11.681 0.252 32.133 1.00 0.00 N ATOM 0 HA GLN A 17 -16.372 0.894 31.038 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -13.995 2.451 30.333 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -14.264 2.514 32.064 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -14.222 0.115 32.276 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -14.439 -0.126 30.554 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -12.092 0.077 33.050 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.668 0.236 32.017 1.00 0.00 H new ATOM 267 N GLN A 18 -16.701 4.099 31.733 1.00 0.00 N ATOM 268 CA GLN A 18 -17.326 5.025 32.670 1.00 0.00 C ATOM 269 C GLN A 18 -18.695 4.515 33.108 1.00 0.00 C ATOM 270 O GLN A 18 -18.938 4.327 34.298 1.00 0.00 O ATOM 271 CB GLN A 18 -17.482 6.405 32.029 1.00 0.00 C ATOM 272 CG GLN A 18 -16.271 7.271 32.381 1.00 0.00 C ATOM 273 CD GLN A 18 -15.001 6.428 32.342 1.00 0.00 C ATOM 274 OE1 GLN A 18 -14.287 6.334 33.340 1.00 0.00 O ATOM 275 NE2 GLN A 18 -14.678 5.804 31.242 1.00 0.00 N ATOM 0 H GLN A 18 -16.282 4.538 30.913 1.00 0.00 H new ATOM 0 HA GLN A 18 -16.681 5.101 33.545 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -17.570 6.307 30.947 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -18.397 6.880 32.382 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -16.189 8.100 31.678 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -16.399 7.705 33.373 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -15.272 5.884 30.417 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -13.831 5.236 31.208 1.00 0.00 H new ATOM 284 N THR A 19 -19.588 4.304 32.145 1.00 0.00 N ATOM 285 CA THR A 19 -20.935 3.832 32.455 1.00 0.00 C ATOM 286 C THR A 19 -20.899 2.497 33.185 1.00 0.00 C ATOM 287 O THR A 19 -21.558 2.315 34.209 1.00 0.00 O ATOM 288 CB THR A 19 -21.768 3.729 31.166 1.00 0.00 C ATOM 289 OG1 THR A 19 -23.039 4.325 31.384 1.00 0.00 O ATOM 290 CG2 THR A 19 -21.959 2.264 30.755 1.00 0.00 C ATOM 0 H THR A 19 -19.406 4.451 31.152 1.00 0.00 H new ATOM 0 HA THR A 19 -21.406 4.556 33.120 1.00 0.00 H new ATOM 0 HB THR A 19 -21.240 4.248 30.366 1.00 0.00 H new ATOM 0 HG1 THR A 19 -23.574 4.264 30.565 1.00 0.00 H new ATOM 0 HG21 THR A 19 -22.551 2.217 29.841 1.00 0.00 H new ATOM 0 HG22 THR A 19 -20.986 1.805 30.581 1.00 0.00 H new ATOM 0 HG23 THR A 19 -22.476 1.727 31.550 1.00 0.00 H new ATOM 298 N PHE A 20 -20.125 1.574 32.654 1.00 0.00 N ATOM 299 CA PHE A 20 -19.999 0.253 33.258 1.00 0.00 C ATOM 300 C PHE A 20 -19.714 0.388 34.750 1.00 0.00 C ATOM 301 O PHE A 20 -20.469 -0.093 35.591 1.00 0.00 O ATOM 302 CB PHE A 20 -18.865 -0.516 32.582 1.00 0.00 C ATOM 303 CG PHE A 20 -18.754 -1.887 33.195 1.00 0.00 C ATOM 304 CD1 PHE A 20 -18.146 -2.046 34.445 1.00 0.00 C ATOM 305 CD2 PHE A 20 -19.258 -3.001 32.513 1.00 0.00 C ATOM 306 CE1 PHE A 20 -18.041 -3.319 35.014 1.00 0.00 C ATOM 307 CE2 PHE A 20 -19.153 -4.274 33.082 1.00 0.00 C ATOM 308 CZ PHE A 20 -18.544 -4.432 34.332 1.00 0.00 C ATOM 0 H PHE A 20 -19.572 1.708 31.807 1.00 0.00 H new ATOM 0 HA PHE A 20 -20.933 -0.292 33.123 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -19.055 -0.599 31.512 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -17.925 0.024 32.699 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -17.758 -1.186 34.970 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -19.727 -2.877 31.548 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -17.572 -3.443 35.979 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -19.541 -5.134 32.557 1.00 0.00 H new ATOM 0 HZ PHE A 20 -18.462 -5.415 34.771 1.00 0.00 H new ATOM 318 N LEU A 21 -18.617 1.059 35.060 1.00 0.00 N ATOM 319 CA LEU A 21 -18.222 1.283 36.445 1.00 0.00 C ATOM 320 C LEU A 21 -19.289 2.099 37.167 1.00 0.00 C ATOM 321 O LEU A 21 -19.608 1.833 38.324 1.00 0.00 O ATOM 322 CB LEU A 21 -16.881 2.021 36.500 1.00 0.00 C ATOM 323 CG LEU A 21 -15.842 1.270 35.662 1.00 0.00 C ATOM 324 CD1 LEU A 21 -14.640 2.182 35.397 1.00 0.00 C ATOM 325 CD2 LEU A 21 -15.375 0.023 36.420 1.00 0.00 C ATOM 0 H LEU A 21 -17.981 1.460 34.371 1.00 0.00 H new ATOM 0 HA LEU A 21 -18.116 0.317 36.938 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -16.999 3.037 36.124 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -16.541 2.100 37.533 1.00 0.00 H new ATOM 0 HG LEU A 21 -16.291 0.973 34.714 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.901 1.646 34.801 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -14.969 3.069 34.856 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.193 2.480 36.346 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -14.636 -0.510 35.822 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -14.929 0.320 37.369 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -16.228 -0.629 36.608 1.00 0.00 H new ATOM 337 N ASN A 22 -19.853 3.083 36.474 1.00 0.00 N ATOM 338 CA ASN A 22 -20.898 3.900 37.074 1.00 0.00 C ATOM 339 C ASN A 22 -21.988 2.984 37.608 1.00 0.00 C ATOM 340 O ASN A 22 -22.518 3.191 38.700 1.00 0.00 O ATOM 341 CB ASN A 22 -21.491 4.862 36.041 1.00 0.00 C ATOM 342 CG ASN A 22 -21.709 6.234 36.669 1.00 0.00 C ATOM 343 OD1 ASN A 22 -22.844 6.701 36.761 1.00 0.00 O ATOM 344 ND2 ASN A 22 -20.683 6.912 37.108 1.00 0.00 N ATOM 0 H ASN A 22 -19.609 3.330 35.515 1.00 0.00 H new ATOM 0 HA ASN A 22 -20.472 4.490 37.885 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -20.821 4.947 35.185 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -22.437 4.470 35.668 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -20.821 7.831 37.528 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -19.743 6.523 37.031 1.00 0.00 H new ATOM 351 N GLN A 23 -22.297 1.952 36.828 1.00 0.00 N ATOM 352 CA GLN A 23 -23.308 0.981 37.228 1.00 0.00 C ATOM 353 C GLN A 23 -22.897 0.328 38.539 1.00 0.00 C ATOM 354 O GLN A 23 -23.670 0.290 39.492 1.00 0.00 O ATOM 355 CB GLN A 23 -23.470 -0.103 36.155 1.00 0.00 C ATOM 356 CG GLN A 23 -24.781 0.119 35.400 1.00 0.00 C ATOM 357 CD GLN A 23 -24.918 -0.908 34.282 1.00 0.00 C ATOM 358 OE1 GLN A 23 -24.055 -1.770 34.120 1.00 0.00 O ATOM 359 NE2 GLN A 23 -25.959 -0.867 33.496 1.00 0.00 N ATOM 0 H GLN A 23 -21.865 1.768 35.922 1.00 0.00 H new ATOM 0 HA GLN A 23 -24.258 1.501 37.352 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -22.629 -0.072 35.462 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -23.467 -1.090 36.617 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -25.624 0.037 36.086 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -24.805 1.127 34.985 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -26.673 -0.152 33.632 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -26.059 -1.550 32.745 1.00 0.00 H new ATOM 368 N LEU A 24 -21.668 -0.186 38.567 1.00 0.00 N ATOM 369 CA LEU A 24 -21.138 -0.846 39.750 1.00 0.00 C ATOM 370 C LEU A 24 -21.462 -0.043 41.001 1.00 0.00 C ATOM 371 O LEU A 24 -21.753 -0.604 42.057 1.00 0.00 O ATOM 372 CB LEU A 24 -19.631 -0.996 39.610 1.00 0.00 C ATOM 373 CG LEU A 24 -19.323 -2.364 39.010 1.00 0.00 C ATOM 374 CD1 LEU A 24 -17.837 -2.445 38.668 1.00 0.00 C ATOM 375 CD2 LEU A 24 -19.685 -3.451 40.025 1.00 0.00 C ATOM 0 H LEU A 24 -21.022 -0.156 37.778 1.00 0.00 H new ATOM 0 HA LEU A 24 -21.599 -1.830 39.843 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -19.231 -0.207 38.973 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -19.150 -0.895 40.583 1.00 0.00 H new ATOM 0 HG LEU A 24 -19.907 -2.510 38.101 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -17.615 -3.422 38.239 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -17.587 -1.667 37.947 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -17.247 -2.304 39.574 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -19.467 -4.431 39.601 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -19.100 -3.310 40.934 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -20.747 -3.387 40.264 1.00 0.00 H new ATOM 387 N ARG A 25 -21.425 1.273 40.866 1.00 0.00 N ATOM 388 CA ARG A 25 -21.732 2.159 41.979 1.00 0.00 C ATOM 389 C ARG A 25 -23.239 2.224 42.183 1.00 0.00 C ATOM 390 O ARG A 25 -23.722 2.646 43.230 1.00 0.00 O ATOM 391 CB ARG A 25 -21.205 3.567 41.681 1.00 0.00 C ATOM 392 CG ARG A 25 -21.447 4.481 42.893 1.00 0.00 C ATOM 393 CD ARG A 25 -22.282 5.714 42.506 1.00 0.00 C ATOM 394 NE ARG A 25 -22.147 6.030 41.087 1.00 0.00 N ATOM 395 CZ ARG A 25 -23.176 5.918 40.246 1.00 0.00 C ATOM 396 NH1 ARG A 25 -24.344 5.516 40.676 1.00 0.00 N ATOM 397 NH2 ARG A 25 -23.018 6.209 38.984 1.00 0.00 N ATOM 0 H ARG A 25 -21.186 1.752 39.998 1.00 0.00 H new ATOM 0 HA ARG A 25 -21.256 1.774 42.881 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -20.140 3.526 41.452 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -21.705 3.974 40.802 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -21.961 3.922 43.675 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -20.491 4.802 43.306 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -23.331 5.532 42.741 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -21.966 6.570 43.102 1.00 0.00 H new ATOM 0 HE ARG A 25 -21.244 6.344 40.730 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -24.473 5.285 41.661 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -25.126 5.433 40.026 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -22.109 6.521 38.643 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -23.803 6.124 38.339 1.00 0.00 H new ATOM 411 N GLU A 26 -23.969 1.840 41.145 1.00 0.00 N ATOM 412 CA GLU A 26 -25.431 1.886 41.175 1.00 0.00 C ATOM 413 C GLU A 26 -26.076 0.615 41.749 1.00 0.00 C ATOM 414 O GLU A 26 -26.848 0.686 42.705 1.00 0.00 O ATOM 415 CB GLU A 26 -25.956 2.111 39.756 1.00 0.00 C ATOM 416 CG GLU A 26 -27.375 2.671 39.821 1.00 0.00 C ATOM 417 CD GLU A 26 -28.232 2.056 38.719 1.00 0.00 C ATOM 418 OE1 GLU A 26 -27.662 1.510 37.788 1.00 0.00 O ATOM 419 OE2 GLU A 26 -29.444 2.139 38.821 1.00 0.00 O ATOM 0 H GLU A 26 -23.576 1.493 40.270 1.00 0.00 H new ATOM 0 HA GLU A 26 -25.704 2.707 41.838 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -25.305 2.803 39.221 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -25.949 1.173 39.201 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -27.814 2.458 40.796 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -27.352 3.755 39.712 1.00 0.00 H new ATOM 426 N ILE A 27 -25.800 -0.533 41.133 1.00 0.00 N ATOM 427 CA ILE A 27 -26.411 -1.798 41.565 1.00 0.00 C ATOM 428 C ILE A 27 -26.049 -2.144 43.007 1.00 0.00 C ATOM 429 O ILE A 27 -26.926 -2.300 43.856 1.00 0.00 O ATOM 430 CB ILE A 27 -25.959 -2.959 40.660 1.00 0.00 C ATOM 431 CG1 ILE A 27 -25.376 -2.431 39.357 1.00 0.00 C ATOM 432 CG2 ILE A 27 -27.126 -3.877 40.323 1.00 0.00 C ATOM 433 CD1 ILE A 27 -23.868 -2.359 39.514 1.00 0.00 C ATOM 0 H ILE A 27 -25.164 -0.618 40.340 1.00 0.00 H new ATOM 0 HA ILE A 27 -27.490 -1.661 41.493 1.00 0.00 H new ATOM 0 HB ILE A 27 -25.200 -3.517 41.209 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -25.642 -3.086 38.527 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -25.783 -1.446 39.129 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -26.778 -4.688 39.683 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -27.540 -4.292 41.242 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -27.897 -3.309 39.802 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -23.424 -1.983 38.592 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -23.619 -1.689 40.337 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -23.476 -3.354 39.726 1.00 0.00 H new ATOM 445 N THR A 28 -24.757 -2.289 43.269 1.00 0.00 N ATOM 446 CA THR A 28 -24.296 -2.647 44.607 1.00 0.00 C ATOM 447 C THR A 28 -24.150 -1.415 45.494 1.00 0.00 C ATOM 448 O THR A 28 -23.840 -1.526 46.680 1.00 0.00 O ATOM 449 CB THR A 28 -22.966 -3.406 44.532 1.00 0.00 C ATOM 450 OG1 THR A 28 -22.333 -3.364 45.801 1.00 0.00 O ATOM 451 CG2 THR A 28 -22.049 -2.781 43.473 1.00 0.00 C ATOM 0 H THR A 28 -24.014 -2.166 42.581 1.00 0.00 H new ATOM 0 HA THR A 28 -25.049 -3.296 45.054 1.00 0.00 H new ATOM 0 HB THR A 28 -23.162 -4.441 44.251 1.00 0.00 H new ATOM 0 HG1 THR A 28 -22.950 -2.985 46.462 1.00 0.00 H new ATOM 0 HG21 THR A 28 -21.110 -3.333 43.434 1.00 0.00 H new ATOM 0 HG22 THR A 28 -22.536 -2.824 42.499 1.00 0.00 H new ATOM 0 HG23 THR A 28 -21.849 -1.742 43.733 1.00 0.00 H new ATOM 459 N GLY A 29 -24.391 -0.245 44.920 1.00 0.00 N ATOM 460 CA GLY A 29 -24.300 0.998 45.681 1.00 0.00 C ATOM 461 C GLY A 29 -22.897 1.228 46.248 1.00 0.00 C ATOM 462 O GLY A 29 -22.746 1.841 47.305 1.00 0.00 O ATOM 0 H GLY A 29 -24.649 -0.128 43.940 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -24.572 1.836 45.039 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -25.021 0.975 46.498 1.00 0.00 H new ATOM 466 N ILE A 30 -21.870 0.744 45.549 1.00 0.00 N ATOM 467 CA ILE A 30 -20.495 0.927 46.018 1.00 0.00 C ATOM 468 C ILE A 30 -19.969 2.299 45.612 1.00 0.00 C ATOM 469 O ILE A 30 -20.334 2.828 44.566 1.00 0.00 O ATOM 470 CB ILE A 30 -19.582 -0.155 45.441 1.00 0.00 C ATOM 471 CG1 ILE A 30 -19.866 -1.489 46.133 1.00 0.00 C ATOM 472 CG2 ILE A 30 -18.121 0.234 45.669 1.00 0.00 C ATOM 473 CD1 ILE A 30 -19.634 -1.357 47.639 1.00 0.00 C ATOM 0 H ILE A 30 -21.960 0.231 44.672 1.00 0.00 H new ATOM 0 HA ILE A 30 -20.499 0.851 47.105 1.00 0.00 H new ATOM 0 HB ILE A 30 -19.771 -0.253 44.372 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -20.894 -1.796 45.941 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -19.219 -2.265 45.724 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -17.471 -0.538 45.257 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -17.916 1.183 45.174 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -17.934 0.334 46.738 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -19.839 -2.312 48.124 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -18.599 -1.071 47.824 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -20.299 -0.594 48.044 1.00 0.00 H new ATOM 485 N ASN A 31 -19.110 2.872 46.447 1.00 0.00 N ATOM 486 CA ASN A 31 -18.549 4.186 46.157 1.00 0.00 C ATOM 487 C ASN A 31 -17.101 4.071 45.689 1.00 0.00 C ATOM 488 O ASN A 31 -16.729 4.630 44.657 1.00 0.00 O ATOM 489 CB ASN A 31 -18.621 5.066 47.406 1.00 0.00 C ATOM 490 CG ASN A 31 -20.044 5.067 47.958 1.00 0.00 C ATOM 491 OD1 ASN A 31 -20.298 4.505 49.023 1.00 0.00 O ATOM 492 ND2 ASN A 31 -20.992 5.667 47.291 1.00 0.00 N ATOM 0 H ASN A 31 -18.790 2.453 47.320 1.00 0.00 H new ATOM 0 HA ASN A 31 -19.133 4.639 45.356 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -17.928 4.697 48.162 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -18.315 6.084 47.163 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -21.946 5.671 47.652 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -20.779 6.132 46.409 1.00 0.00 H new ATOM 499 N ASP A 32 -16.287 3.346 46.451 1.00 0.00 N ATOM 500 CA ASP A 32 -14.881 3.173 46.096 1.00 0.00 C ATOM 501 C ASP A 32 -14.736 2.895 44.603 1.00 0.00 C ATOM 502 O ASP A 32 -15.011 1.789 44.139 1.00 0.00 O ATOM 503 CB ASP A 32 -14.282 2.015 46.897 1.00 0.00 C ATOM 504 CG ASP A 32 -14.949 1.929 48.265 1.00 0.00 C ATOM 505 OD1 ASP A 32 -15.058 2.954 48.916 1.00 0.00 O ATOM 506 OD2 ASP A 32 -15.344 0.836 48.641 1.00 0.00 O ATOM 0 H ASP A 32 -16.572 2.873 47.309 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.347 4.093 46.334 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.419 1.078 46.357 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.208 2.160 47.015 1.00 0.00 H new ATOM 511 N THR A 33 -14.305 3.909 43.856 1.00 0.00 N ATOM 512 CA THR A 33 -14.132 3.773 42.412 1.00 0.00 C ATOM 513 C THR A 33 -12.974 2.833 42.082 1.00 0.00 C ATOM 514 O THR A 33 -12.941 2.231 41.009 1.00 0.00 O ATOM 515 CB THR A 33 -13.870 5.146 41.789 1.00 0.00 C ATOM 516 OG1 THR A 33 -12.891 5.832 42.556 1.00 0.00 O ATOM 517 CG2 THR A 33 -15.168 5.956 41.771 1.00 0.00 C ATOM 0 H THR A 33 -14.070 4.830 44.225 1.00 0.00 H new ATOM 0 HA THR A 33 -15.048 3.350 41.999 1.00 0.00 H new ATOM 0 HB THR A 33 -13.510 5.020 40.768 1.00 0.00 H new ATOM 0 HG1 THR A 33 -12.720 6.711 42.158 1.00 0.00 H new ATOM 0 HG21 THR A 33 -14.981 6.934 41.327 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.918 5.428 41.182 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.531 6.084 42.791 1.00 0.00 H new ATOM 525 N GLN A 34 -12.025 2.719 43.003 1.00 0.00 N ATOM 526 CA GLN A 34 -10.869 1.854 42.788 1.00 0.00 C ATOM 527 C GLN A 34 -11.292 0.390 42.694 1.00 0.00 C ATOM 528 O GLN A 34 -10.827 -0.347 41.825 1.00 0.00 O ATOM 529 CB GLN A 34 -9.871 2.022 43.937 1.00 0.00 C ATOM 530 CG GLN A 34 -9.142 3.360 43.792 1.00 0.00 C ATOM 531 CD GLN A 34 -8.437 3.713 45.098 1.00 0.00 C ATOM 532 OE1 GLN A 34 -8.985 3.498 46.179 1.00 0.00 O ATOM 533 NE2 GLN A 34 -7.246 4.249 45.060 1.00 0.00 N ATOM 0 H GLN A 34 -12.031 3.209 43.898 1.00 0.00 H new ATOM 0 HA GLN A 34 -10.400 2.143 41.847 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -10.392 1.982 44.894 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -9.153 1.202 43.931 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.416 3.302 42.981 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.852 4.144 43.529 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -6.795 4.426 44.163 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.768 4.491 45.928 1.00 0.00 H new ATOM 542 N ILE A 35 -12.166 -0.028 43.602 1.00 0.00 N ATOM 543 CA ILE A 35 -12.631 -1.409 43.620 1.00 0.00 C ATOM 544 C ILE A 35 -13.494 -1.724 42.399 1.00 0.00 C ATOM 545 O ILE A 35 -13.585 -2.878 41.980 1.00 0.00 O ATOM 546 CB ILE A 35 -13.433 -1.674 44.895 1.00 0.00 C ATOM 547 CG1 ILE A 35 -12.471 -1.967 46.049 1.00 0.00 C ATOM 548 CG2 ILE A 35 -14.346 -2.883 44.680 1.00 0.00 C ATOM 549 CD1 ILE A 35 -11.650 -0.714 46.361 1.00 0.00 C ATOM 0 H ILE A 35 -12.564 0.565 44.330 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.754 -2.056 43.595 1.00 0.00 H new ATOM 0 HB ILE A 35 -14.036 -0.798 45.134 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -13.030 -2.278 46.932 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -11.809 -2.792 45.784 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.918 -3.073 45.588 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -15.030 -2.680 43.856 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.741 -3.758 44.443 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -10.965 -0.923 47.183 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -11.080 -0.423 45.479 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.319 0.098 46.644 1.00 0.00 H new ATOM 561 N LEU A 36 -14.130 -0.701 41.831 1.00 0.00 N ATOM 562 CA LEU A 36 -14.983 -0.912 40.663 1.00 0.00 C ATOM 563 C LEU A 36 -14.148 -1.265 39.437 1.00 0.00 C ATOM 564 O LEU A 36 -14.432 -2.244 38.745 1.00 0.00 O ATOM 565 CB LEU A 36 -15.818 0.340 40.367 1.00 0.00 C ATOM 566 CG LEU A 36 -16.604 0.772 41.618 1.00 0.00 C ATOM 567 CD1 LEU A 36 -17.878 1.528 41.208 1.00 0.00 C ATOM 568 CD2 LEU A 36 -16.993 -0.456 42.449 1.00 0.00 C ATOM 0 H LEU A 36 -14.073 0.265 42.153 1.00 0.00 H new ATOM 0 HA LEU A 36 -15.652 -1.743 40.889 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -15.166 1.151 40.042 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -16.508 0.139 39.548 1.00 0.00 H new ATOM 0 HG LEU A 36 -15.969 1.427 42.215 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -18.426 1.829 42.101 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -17.607 2.414 40.633 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -18.506 0.879 40.598 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -17.548 -0.137 43.331 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -17.615 -1.119 41.848 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -16.092 -0.986 42.759 1.00 0.00 H new ATOM 580 N GLN A 37 -13.122 -0.467 39.168 1.00 0.00 N ATOM 581 CA GLN A 37 -12.260 -0.716 38.017 1.00 0.00 C ATOM 582 C GLN A 37 -11.618 -2.093 38.132 1.00 0.00 C ATOM 583 O GLN A 37 -11.364 -2.761 37.129 1.00 0.00 O ATOM 584 CB GLN A 37 -11.169 0.355 37.929 1.00 0.00 C ATOM 585 CG GLN A 37 -11.757 1.726 38.273 1.00 0.00 C ATOM 586 CD GLN A 37 -11.529 2.699 37.121 1.00 0.00 C ATOM 587 OE1 GLN A 37 -10.564 2.560 36.370 1.00 0.00 O ATOM 588 NE2 GLN A 37 -12.367 3.682 36.937 1.00 0.00 N ATOM 0 H GLN A 37 -12.867 0.350 39.724 1.00 0.00 H new ATOM 0 HA GLN A 37 -12.868 -0.678 37.113 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -10.356 0.116 38.614 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -10.745 0.373 36.925 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -12.824 1.632 38.474 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -11.294 2.111 39.181 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -13.166 3.795 37.561 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.223 4.338 36.169 1.00 0.00 H new ATOM 597 N GLN A 38 -11.366 -2.510 39.368 1.00 0.00 N ATOM 598 CA GLN A 38 -10.760 -3.811 39.619 1.00 0.00 C ATOM 599 C GLN A 38 -11.767 -4.924 39.355 1.00 0.00 C ATOM 600 O GLN A 38 -11.418 -5.980 38.827 1.00 0.00 O ATOM 601 CB GLN A 38 -10.276 -3.890 41.070 1.00 0.00 C ATOM 602 CG GLN A 38 -8.837 -4.413 41.105 1.00 0.00 C ATOM 603 CD GLN A 38 -8.811 -5.896 40.747 1.00 0.00 C ATOM 604 OE1 GLN A 38 -9.228 -6.278 39.653 1.00 0.00 O ATOM 605 NE2 GLN A 38 -8.340 -6.758 41.607 1.00 0.00 N ATOM 0 H GLN A 38 -11.571 -1.968 40.208 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.911 -3.935 38.947 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.327 -2.905 41.535 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.927 -4.548 41.646 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.220 -3.851 40.404 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -8.411 -4.263 42.097 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.995 -6.439 42.512 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.317 -7.751 41.374 1.00 0.00 H new ATOM 614 N ALA A 39 -13.021 -4.680 39.724 1.00 0.00 N ATOM 615 CA ALA A 39 -14.075 -5.666 39.521 1.00 0.00 C ATOM 616 C ALA A 39 -14.288 -5.920 38.031 1.00 0.00 C ATOM 617 O ALA A 39 -14.583 -7.041 37.620 1.00 0.00 O ATOM 618 CB ALA A 39 -15.377 -5.174 40.155 1.00 0.00 C ATOM 0 H ALA A 39 -13.330 -3.813 40.163 1.00 0.00 H new ATOM 0 HA ALA A 39 -13.774 -6.600 39.995 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -16.160 -5.916 39.999 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -15.227 -5.023 41.224 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -15.673 -4.232 39.694 1.00 0.00 H new ATOM 624 N LEU A 40 -14.126 -4.874 37.229 1.00 0.00 N ATOM 625 CA LEU A 40 -14.294 -4.998 35.786 1.00 0.00 C ATOM 626 C LEU A 40 -13.212 -5.901 35.207 1.00 0.00 C ATOM 627 O LEU A 40 -13.488 -6.775 34.386 1.00 0.00 O ATOM 628 CB LEU A 40 -14.213 -3.616 35.131 1.00 0.00 C ATOM 629 CG LEU A 40 -14.943 -3.638 33.786 1.00 0.00 C ATOM 630 CD1 LEU A 40 -14.989 -2.221 33.211 1.00 0.00 C ATOM 631 CD2 LEU A 40 -14.198 -4.555 32.813 1.00 0.00 C ATOM 0 H LEU A 40 -13.880 -3.938 37.550 1.00 0.00 H new ATOM 0 HA LEU A 40 -15.271 -5.437 35.584 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -14.658 -2.866 35.785 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -13.171 -3.333 34.985 1.00 0.00 H new ATOM 0 HG LEU A 40 -15.958 -4.009 33.930 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -15.508 -2.234 32.253 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -15.518 -1.565 33.902 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -13.973 -1.853 33.068 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -14.719 -4.570 31.856 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -13.183 -4.184 32.668 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -14.161 -5.565 33.221 1.00 0.00 H new ATOM 643 N LYS A 41 -11.976 -5.683 35.646 1.00 0.00 N ATOM 644 CA LYS A 41 -10.852 -6.480 35.173 1.00 0.00 C ATOM 645 C LYS A 41 -11.070 -7.957 35.481 1.00 0.00 C ATOM 646 O LYS A 41 -10.668 -8.829 34.710 1.00 0.00 O ATOM 647 CB LYS A 41 -9.563 -6.006 35.844 1.00 0.00 C ATOM 648 CG LYS A 41 -9.385 -4.506 35.605 1.00 0.00 C ATOM 649 CD LYS A 41 -8.556 -4.288 34.340 1.00 0.00 C ATOM 650 CE LYS A 41 -8.554 -2.800 33.982 1.00 0.00 C ATOM 651 NZ LYS A 41 -8.092 -2.007 35.157 1.00 0.00 N ATOM 0 H LYS A 41 -11.729 -4.964 36.326 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.772 -6.355 34.093 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.600 -6.213 36.914 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.709 -6.553 35.443 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.358 -4.025 35.503 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.890 -4.046 36.461 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.535 -4.637 34.497 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.969 -4.871 33.517 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.900 -2.621 33.129 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.555 -2.484 33.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.540 -1.189 34.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -8.916 -1.674 35.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.497 -2.604 35.766 1.00 0.00 H new ATOM 665 N ASP A 42 -11.706 -8.232 36.615 1.00 0.00 N ATOM 666 CA ASP A 42 -11.967 -9.609 37.018 1.00 0.00 C ATOM 667 C ASP A 42 -13.266 -10.119 36.400 1.00 0.00 C ATOM 668 O ASP A 42 -13.540 -11.318 36.419 1.00 0.00 O ATOM 669 CB ASP A 42 -12.057 -9.699 38.544 1.00 0.00 C ATOM 670 CG ASP A 42 -10.835 -9.045 39.180 1.00 0.00 C ATOM 671 OD1 ASP A 42 -10.229 -8.209 38.530 1.00 0.00 O ATOM 672 OD2 ASP A 42 -10.522 -9.392 40.306 1.00 0.00 O ATOM 0 H ASP A 42 -12.048 -7.526 37.267 1.00 0.00 H new ATOM 0 HA ASP A 42 -11.144 -10.230 36.663 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -12.965 -9.207 38.892 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -12.122 -10.743 38.851 1.00 0.00 H new ATOM 677 N SER A 43 -14.064 -9.202 35.860 1.00 0.00 N ATOM 678 CA SER A 43 -15.336 -9.575 35.248 1.00 0.00 C ATOM 679 C SER A 43 -15.203 -9.716 33.733 1.00 0.00 C ATOM 680 O SER A 43 -15.908 -10.513 33.114 1.00 0.00 O ATOM 681 CB SER A 43 -16.394 -8.522 35.571 1.00 0.00 C ATOM 682 OG SER A 43 -16.402 -8.275 36.969 1.00 0.00 O ATOM 0 H SER A 43 -13.855 -8.204 35.833 1.00 0.00 H new ATOM 0 HA SER A 43 -15.636 -10.540 35.657 1.00 0.00 H new ATOM 0 HB2 SER A 43 -16.183 -7.600 35.029 1.00 0.00 H new ATOM 0 HB3 SER A 43 -17.376 -8.865 35.246 1.00 0.00 H new ATOM 0 HG SER A 43 -15.862 -7.481 37.164 1.00 0.00 H new ATOM 688 N ASN A 44 -14.296 -8.947 33.140 1.00 0.00 N ATOM 689 CA ASN A 44 -14.087 -9.011 31.696 1.00 0.00 C ATOM 690 C ASN A 44 -15.183 -8.256 30.947 1.00 0.00 C ATOM 691 O ASN A 44 -15.456 -8.540 29.781 1.00 0.00 O ATOM 692 CB ASN A 44 -14.077 -10.472 31.238 1.00 0.00 C ATOM 693 CG ASN A 44 -12.989 -10.682 30.192 1.00 0.00 C ATOM 694 OD1 ASN A 44 -11.856 -10.235 30.374 1.00 0.00 O ATOM 695 ND2 ASN A 44 -13.265 -11.340 29.099 1.00 0.00 N ATOM 0 H ASN A 44 -13.700 -8.279 33.629 1.00 0.00 H new ATOM 0 HA ASN A 44 -13.128 -8.544 31.472 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -13.904 -11.128 32.091 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -15.049 -10.738 30.823 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -12.542 -11.485 28.394 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -14.204 -11.710 28.950 1.00 0.00 H new ATOM 702 N GLY A 45 -15.809 -7.293 31.618 1.00 0.00 N ATOM 703 CA GLY A 45 -16.871 -6.511 30.992 1.00 0.00 C ATOM 704 C GLY A 45 -18.245 -7.000 31.436 1.00 0.00 C ATOM 705 O GLY A 45 -19.270 -6.575 30.904 1.00 0.00 O ATOM 0 H GLY A 45 -15.603 -7.037 32.584 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -16.754 -5.459 31.252 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -16.789 -6.582 29.907 1.00 0.00 H new ATOM 709 N ASN A 46 -18.255 -7.894 32.418 1.00 0.00 N ATOM 710 CA ASN A 46 -19.505 -8.438 32.938 1.00 0.00 C ATOM 711 C ASN A 46 -19.920 -7.678 34.201 1.00 0.00 C ATOM 712 O ASN A 46 -19.108 -7.463 35.101 1.00 0.00 O ATOM 713 CB ASN A 46 -19.330 -9.928 33.228 1.00 0.00 C ATOM 714 CG ASN A 46 -19.316 -10.711 31.919 1.00 0.00 C ATOM 715 OD1 ASN A 46 -19.782 -10.214 30.893 1.00 0.00 O ATOM 716 ND2 ASN A 46 -18.809 -11.912 31.894 1.00 0.00 N ATOM 0 H ASN A 46 -17.415 -8.257 32.869 1.00 0.00 H new ATOM 0 HA ASN A 46 -20.294 -8.319 32.196 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -18.401 -10.095 33.772 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -20.141 -10.282 33.865 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -18.798 -12.443 31.023 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -18.424 -12.321 32.745 1.00 0.00 H new ATOM 723 N LEU A 47 -21.182 -7.250 34.247 1.00 0.00 N ATOM 724 CA LEU A 47 -21.686 -6.475 35.388 1.00 0.00 C ATOM 725 C LEU A 47 -22.093 -7.385 36.544 1.00 0.00 C ATOM 726 O LEU A 47 -21.497 -7.330 37.618 1.00 0.00 O ATOM 727 CB LEU A 47 -22.895 -5.646 34.937 1.00 0.00 C ATOM 728 CG LEU A 47 -23.004 -4.349 35.752 1.00 0.00 C ATOM 729 CD1 LEU A 47 -23.184 -4.675 37.233 1.00 0.00 C ATOM 730 CD2 LEU A 47 -21.743 -3.500 35.571 1.00 0.00 C ATOM 0 H LEU A 47 -21.871 -7.423 33.515 1.00 0.00 H new ATOM 0 HA LEU A 47 -20.888 -5.821 35.740 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -22.803 -5.408 33.877 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -23.807 -6.232 35.054 1.00 0.00 H new ATOM 0 HG LEU A 47 -23.868 -3.789 35.395 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -23.260 -3.749 37.803 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -24.093 -5.261 37.369 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -22.327 -5.249 37.586 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -21.834 -2.584 36.154 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -20.874 -4.062 35.912 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -21.622 -3.249 34.517 1.00 0.00 H new ATOM 742 N GLU A 48 -23.098 -8.226 36.320 1.00 0.00 N ATOM 743 CA GLU A 48 -23.547 -9.138 37.362 1.00 0.00 C ATOM 744 C GLU A 48 -22.336 -9.785 38.008 1.00 0.00 C ATOM 745 O GLU A 48 -22.394 -10.278 39.135 1.00 0.00 O ATOM 746 CB GLU A 48 -24.455 -10.219 36.771 1.00 0.00 C ATOM 747 CG GLU A 48 -25.767 -10.262 37.557 1.00 0.00 C ATOM 748 CD GLU A 48 -26.790 -11.120 36.821 1.00 0.00 C ATOM 749 OE1 GLU A 48 -27.117 -10.782 35.695 1.00 0.00 O ATOM 750 OE2 GLU A 48 -27.231 -12.103 37.393 1.00 0.00 O ATOM 0 H GLU A 48 -23.609 -8.294 35.440 1.00 0.00 H new ATOM 0 HA GLU A 48 -24.113 -8.580 38.108 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -24.654 -10.009 35.720 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -23.960 -11.189 36.814 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -25.590 -10.667 38.553 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -26.155 -9.252 37.688 1.00 0.00 H new ATOM 757 N LEU A 49 -21.239 -9.772 37.267 1.00 0.00 N ATOM 758 CA LEU A 49 -19.994 -10.348 37.731 1.00 0.00 C ATOM 759 C LEU A 49 -19.197 -9.319 38.509 1.00 0.00 C ATOM 760 O LEU A 49 -18.680 -9.609 39.583 1.00 0.00 O ATOM 761 CB LEU A 49 -19.182 -10.822 36.534 1.00 0.00 C ATOM 762 CG LEU A 49 -19.817 -12.092 35.976 1.00 0.00 C ATOM 763 CD1 LEU A 49 -19.647 -13.214 36.996 1.00 0.00 C ATOM 764 CD2 LEU A 49 -21.314 -11.863 35.726 1.00 0.00 C ATOM 0 H LEU A 49 -21.190 -9.364 36.334 1.00 0.00 H new ATOM 0 HA LEU A 49 -20.214 -11.191 38.386 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -19.153 -10.047 35.768 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -18.151 -11.015 36.831 1.00 0.00 H new ATOM 0 HG LEU A 49 -19.334 -12.358 35.036 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -20.097 -14.128 36.609 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -18.586 -13.381 37.179 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -20.137 -12.935 37.929 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -21.760 -12.774 35.328 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -21.803 -11.599 36.664 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -21.443 -11.052 35.009 1.00 0.00 H new ATOM 776 N ALA A 50 -19.108 -8.113 37.964 1.00 0.00 N ATOM 777 CA ALA A 50 -18.377 -7.051 38.631 1.00 0.00 C ATOM 778 C ALA A 50 -18.992 -6.791 39.998 1.00 0.00 C ATOM 779 O ALA A 50 -18.285 -6.730 41.000 1.00 0.00 O ATOM 780 CB ALA A 50 -18.412 -5.777 37.791 1.00 0.00 C ATOM 0 H ALA A 50 -19.528 -7.850 37.073 1.00 0.00 H new ATOM 0 HA ALA A 50 -17.338 -7.357 38.755 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -17.860 -4.989 38.303 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -17.955 -5.969 36.820 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -19.446 -5.463 37.649 1.00 0.00 H new ATOM 786 N VAL A 51 -20.318 -6.670 40.038 1.00 0.00 N ATOM 787 CA VAL A 51 -21.003 -6.450 41.303 1.00 0.00 C ATOM 788 C VAL A 51 -20.709 -7.610 42.224 1.00 0.00 C ATOM 789 O VAL A 51 -20.115 -7.452 43.290 1.00 0.00 O ATOM 790 CB VAL A 51 -22.510 -6.365 41.087 1.00 0.00 C ATOM 791 CG1 VAL A 51 -23.002 -7.591 40.321 1.00 0.00 C ATOM 792 CG2 VAL A 51 -23.216 -6.300 42.442 1.00 0.00 C ATOM 0 H VAL A 51 -20.928 -6.720 39.222 1.00 0.00 H new ATOM 0 HA VAL A 51 -20.653 -5.514 41.738 1.00 0.00 H new ATOM 0 HB VAL A 51 -22.735 -5.469 40.509 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -24.079 -7.519 40.173 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -22.505 -7.638 39.352 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -22.773 -8.492 40.891 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -24.293 -6.239 42.288 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -22.982 -7.195 43.018 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -22.877 -5.419 42.987 1.00 0.00 H new ATOM 802 N ALA A 52 -21.119 -8.783 41.779 1.00 0.00 N ATOM 803 CA ALA A 52 -20.892 -9.991 42.531 1.00 0.00 C ATOM 804 C ALA A 52 -19.446 -10.019 43.007 1.00 0.00 C ATOM 805 O ALA A 52 -19.162 -10.354 44.149 1.00 0.00 O ATOM 806 CB ALA A 52 -21.188 -11.186 41.633 1.00 0.00 C ATOM 0 H ALA A 52 -21.612 -8.919 40.897 1.00 0.00 H new ATOM 0 HA ALA A 52 -21.545 -10.030 43.403 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -21.021 -12.109 42.188 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -22.226 -11.145 41.303 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -20.530 -11.161 40.765 1.00 0.00 H new ATOM 812 N PHE A 53 -18.536 -9.633 42.125 1.00 0.00 N ATOM 813 CA PHE A 53 -17.125 -9.592 42.478 1.00 0.00 C ATOM 814 C PHE A 53 -16.935 -8.779 43.752 1.00 0.00 C ATOM 815 O PHE A 53 -16.005 -9.016 44.523 1.00 0.00 O ATOM 816 CB PHE A 53 -16.318 -8.962 41.344 1.00 0.00 C ATOM 817 CG PHE A 53 -15.561 -10.034 40.599 1.00 0.00 C ATOM 818 CD1 PHE A 53 -14.542 -10.746 41.241 1.00 0.00 C ATOM 819 CD2 PHE A 53 -15.878 -10.317 39.265 1.00 0.00 C ATOM 820 CE1 PHE A 53 -13.842 -11.742 40.549 1.00 0.00 C ATOM 821 CE2 PHE A 53 -15.178 -11.311 38.574 1.00 0.00 C ATOM 822 CZ PHE A 53 -14.161 -12.025 39.216 1.00 0.00 C ATOM 0 H PHE A 53 -18.746 -9.346 41.169 1.00 0.00 H new ATOM 0 HA PHE A 53 -16.774 -10.611 42.643 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -16.984 -8.433 40.662 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -15.622 -8.225 41.746 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -14.295 -10.528 42.270 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -16.664 -9.767 38.769 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -13.056 -12.292 41.044 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -15.423 -11.527 37.545 1.00 0.00 H new ATOM 0 HZ PHE A 53 -13.622 -12.794 38.683 1.00 0.00 H new ATOM 832 N LEU A 54 -17.832 -7.819 43.968 1.00 0.00 N ATOM 833 CA LEU A 54 -17.764 -6.972 45.155 1.00 0.00 C ATOM 834 C LEU A 54 -18.418 -7.668 46.346 1.00 0.00 C ATOM 835 O LEU A 54 -17.834 -7.746 47.426 1.00 0.00 O ATOM 836 CB LEU A 54 -18.463 -5.634 44.888 1.00 0.00 C ATOM 837 CG LEU A 54 -17.947 -5.038 43.570 1.00 0.00 C ATOM 838 CD1 LEU A 54 -18.184 -3.529 43.546 1.00 0.00 C ATOM 839 CD2 LEU A 54 -16.448 -5.307 43.424 1.00 0.00 C ATOM 0 H LEU A 54 -18.609 -7.610 43.341 1.00 0.00 H new ATOM 0 HA LEU A 54 -16.715 -6.788 45.388 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -19.542 -5.780 44.835 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -18.275 -4.943 45.710 1.00 0.00 H new ATOM 0 HG LEU A 54 -18.486 -5.506 42.746 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -17.814 -3.117 42.607 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -19.251 -3.327 43.635 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -17.656 -3.064 44.379 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -16.091 -4.881 42.486 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -15.914 -4.850 44.257 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -16.270 -6.382 43.425 1.00 0.00 H new ATOM 851 N THR A 55 -19.627 -8.182 46.139 1.00 0.00 N ATOM 852 CA THR A 55 -20.341 -8.879 47.203 1.00 0.00 C ATOM 853 C THR A 55 -19.858 -10.321 47.293 1.00 0.00 C ATOM 854 O THR A 55 -19.505 -10.806 48.367 1.00 0.00 O ATOM 855 CB THR A 55 -21.845 -8.863 46.926 1.00 0.00 C ATOM 856 OG1 THR A 55 -22.226 -10.097 46.334 1.00 0.00 O ATOM 857 CG2 THR A 55 -22.180 -7.713 45.976 1.00 0.00 C ATOM 0 H THR A 55 -20.129 -8.130 45.253 1.00 0.00 H new ATOM 0 HA THR A 55 -20.145 -8.371 48.147 1.00 0.00 H new ATOM 0 HB THR A 55 -22.387 -8.725 47.862 1.00 0.00 H new ATOM 0 HG1 THR A 55 -23.190 -10.091 46.157 1.00 0.00 H new ATOM 0 HG21 THR A 55 -23.252 -7.704 45.780 1.00 0.00 H new ATOM 0 HG22 THR A 55 -21.886 -6.767 46.432 1.00 0.00 H new ATOM 0 HG23 THR A 55 -21.641 -7.847 45.038 1.00 0.00 H new ATOM 1533 N ASP A 101 37.675 -6.612 -4.038 1.00 0.00 N ATOM 1534 CA ASP A 101 38.287 -5.746 -3.039 1.00 0.00 C ATOM 1535 C ASP A 101 39.658 -6.277 -2.638 1.00 0.00 C ATOM 1536 O ASP A 101 40.485 -5.542 -2.100 1.00 0.00 O ATOM 1537 CB ASP A 101 37.392 -5.657 -1.803 1.00 0.00 C ATOM 1538 CG ASP A 101 36.029 -5.091 -2.188 1.00 0.00 C ATOM 1539 OD1 ASP A 101 35.938 -4.486 -3.242 1.00 0.00 O ATOM 1540 OD2 ASP A 101 35.097 -5.272 -1.422 1.00 0.00 O ATOM 0 HA ASP A 101 38.406 -4.753 -3.472 1.00 0.00 H new ATOM 0 HB2 ASP A 101 37.273 -6.645 -1.358 1.00 0.00 H new ATOM 0 HB3 ASP A 101 37.859 -5.022 -1.050 1.00 0.00 H new ATOM 1545 N LEU A 102 39.893 -7.558 -2.904 1.00 0.00 N ATOM 1546 CA LEU A 102 41.172 -8.166 -2.564 1.00 0.00 C ATOM 1547 C LEU A 102 42.241 -7.732 -3.542 1.00 0.00 C ATOM 1548 O LEU A 102 43.286 -7.214 -3.148 1.00 0.00 O ATOM 1549 CB LEU A 102 41.053 -9.692 -2.554 1.00 0.00 C ATOM 1550 CG LEU A 102 42.386 -10.307 -2.119 1.00 0.00 C ATOM 1551 CD1 LEU A 102 42.191 -11.090 -0.818 1.00 0.00 C ATOM 1552 CD2 LEU A 102 42.891 -11.255 -3.210 1.00 0.00 C ATOM 0 H LEU A 102 39.224 -8.187 -3.348 1.00 0.00 H new ATOM 0 HA LEU A 102 41.457 -7.832 -1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 102 40.259 -10.001 -1.874 1.00 0.00 H new ATOM 0 HB3 LEU A 102 40.781 -10.052 -3.546 1.00 0.00 H new ATOM 0 HG LEU A 102 43.114 -9.512 -1.959 1.00 0.00 H new ATOM 0 HD11 LEU A 102 43.141 -11.527 -0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 102 41.832 -10.418 -0.039 1.00 0.00 H new ATOM 0 HD13 LEU A 102 41.461 -11.884 -0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 102 43.840 -11.693 -2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 102 42.160 -12.048 -3.370 1.00 0.00 H new ATOM 0 HD23 LEU A 102 43.033 -10.700 -4.137 1.00 0.00 H new ATOM 1564 N GLN A 103 41.967 -7.920 -4.814 1.00 0.00 N ATOM 1565 CA GLN A 103 42.911 -7.515 -5.838 1.00 0.00 C ATOM 1566 C GLN A 103 43.439 -6.136 -5.478 1.00 0.00 C ATOM 1567 O GLN A 103 44.494 -5.703 -5.950 1.00 0.00 O ATOM 1568 CB GLN A 103 42.210 -7.457 -7.195 1.00 0.00 C ATOM 1569 CG GLN A 103 42.840 -8.477 -8.146 1.00 0.00 C ATOM 1570 CD GLN A 103 41.939 -8.688 -9.359 1.00 0.00 C ATOM 1571 OE1 GLN A 103 41.202 -9.672 -9.422 1.00 0.00 O ATOM 1572 NE2 GLN A 103 41.956 -7.819 -10.333 1.00 0.00 N ATOM 0 H GLN A 103 41.109 -8.346 -5.164 1.00 0.00 H new ATOM 0 HA GLN A 103 43.731 -8.231 -5.897 1.00 0.00 H new ATOM 0 HB2 GLN A 103 41.147 -7.666 -7.075 1.00 0.00 H new ATOM 0 HB3 GLN A 103 42.293 -6.455 -7.615 1.00 0.00 H new ATOM 0 HG2 GLN A 103 43.821 -8.128 -8.468 1.00 0.00 H new ATOM 0 HG3 GLN A 103 42.993 -9.424 -7.627 1.00 0.00 H new ATOM 0 HE21 GLN A 103 42.567 -7.004 -10.279 1.00 0.00 H new ATOM 0 HE22 GLN A 103 41.358 -7.955 -11.148 1.00 0.00 H new ATOM 1581 N ARG A 104 42.684 -5.459 -4.620 1.00 0.00 N ATOM 1582 CA ARG A 104 43.050 -4.123 -4.172 1.00 0.00 C ATOM 1583 C ARG A 104 43.971 -4.203 -2.959 1.00 0.00 C ATOM 1584 O ARG A 104 44.923 -3.432 -2.840 1.00 0.00 O ATOM 1585 CB ARG A 104 41.790 -3.329 -3.819 1.00 0.00 C ATOM 1586 CG ARG A 104 41.468 -2.355 -4.954 1.00 0.00 C ATOM 1587 CD ARG A 104 40.113 -1.694 -4.693 1.00 0.00 C ATOM 1588 NE ARG A 104 40.270 -0.563 -3.787 1.00 0.00 N ATOM 1589 CZ ARG A 104 39.341 0.383 -3.703 1.00 0.00 C ATOM 1590 NH1 ARG A 104 38.270 0.312 -4.445 1.00 0.00 N ATOM 1591 NH2 ARG A 104 39.501 1.383 -2.880 1.00 0.00 N ATOM 0 H ARG A 104 41.815 -5.815 -4.221 1.00 0.00 H new ATOM 0 HA ARG A 104 43.579 -3.616 -4.979 1.00 0.00 H new ATOM 0 HB2 ARG A 104 40.952 -4.008 -3.659 1.00 0.00 H new ATOM 0 HB3 ARG A 104 41.940 -2.783 -2.888 1.00 0.00 H new ATOM 0 HG2 ARG A 104 42.247 -1.596 -5.027 1.00 0.00 H new ATOM 0 HG3 ARG A 104 41.448 -2.884 -5.907 1.00 0.00 H new ATOM 0 HD2 ARG A 104 39.677 -1.358 -5.634 1.00 0.00 H new ATOM 0 HD3 ARG A 104 39.423 -2.420 -4.263 1.00 0.00 H new ATOM 0 HE ARG A 104 41.107 -0.497 -3.208 1.00 0.00 H new ATOM 0 HH11 ARG A 104 38.147 -0.469 -5.089 1.00 0.00 H new ATOM 0 HH12 ARG A 104 37.556 1.038 -4.381 1.00 0.00 H new ATOM 0 HH21 ARG A 104 40.339 1.438 -2.301 1.00 0.00 H new ATOM 0 HH22 ARG A 104 38.788 2.109 -2.815 1.00 0.00 H new ATOM 1605 N ALA A 105 43.685 -5.145 -2.066 1.00 0.00 N ATOM 1606 CA ALA A 105 44.499 -5.319 -0.869 1.00 0.00 C ATOM 1607 C ALA A 105 45.971 -5.465 -1.243 1.00 0.00 C ATOM 1608 O ALA A 105 46.816 -4.696 -0.786 1.00 0.00 O ATOM 1609 CB ALA A 105 44.039 -6.560 -0.101 1.00 0.00 C ATOM 0 H ALA A 105 42.903 -5.794 -2.147 1.00 0.00 H new ATOM 0 HA ALA A 105 44.381 -4.438 -0.238 1.00 0.00 H new ATOM 0 HB1 ALA A 105 44.652 -6.683 0.792 1.00 0.00 H new ATOM 0 HB2 ALA A 105 42.995 -6.442 0.189 1.00 0.00 H new ATOM 0 HB3 ALA A 105 44.142 -7.440 -0.736 1.00 0.00 H new ATOM 1615 N ILE A 106 46.270 -6.457 -2.078 1.00 0.00 N ATOM 1616 CA ILE A 106 47.645 -6.690 -2.505 1.00 0.00 C ATOM 1617 C ILE A 106 48.146 -5.523 -3.320 1.00 0.00 C ATOM 1618 O ILE A 106 49.173 -4.922 -3.019 1.00 0.00 O ATOM 1619 CB ILE A 106 47.747 -7.963 -3.346 1.00 0.00 C ATOM 1620 CG1 ILE A 106 46.495 -8.818 -3.151 1.00 0.00 C ATOM 1621 CG2 ILE A 106 48.979 -8.760 -2.914 1.00 0.00 C ATOM 1622 CD1 ILE A 106 45.443 -8.423 -4.184 1.00 0.00 C ATOM 0 H ILE A 106 45.586 -7.106 -2.468 1.00 0.00 H new ATOM 0 HA ILE A 106 48.256 -6.803 -1.609 1.00 0.00 H new ATOM 0 HB ILE A 106 47.835 -7.691 -4.398 1.00 0.00 H new ATOM 0 HG12 ILE A 106 46.743 -9.874 -3.255 1.00 0.00 H new ATOM 0 HG13 ILE A 106 46.101 -8.681 -2.144 1.00 0.00 H new ATOM 0 HG21 ILE A 106 49.053 -9.668 -3.513 1.00 0.00 H new ATOM 0 HG22 ILE A 106 49.874 -8.155 -3.060 1.00 0.00 H new ATOM 0 HG23 ILE A 106 48.889 -9.026 -1.861 1.00 0.00 H new ATOM 0 HD11 ILE A 106 44.550 -9.032 -4.045 1.00 0.00 H new ATOM 0 HD12 ILE A 106 45.187 -7.371 -4.059 1.00 0.00 H new ATOM 0 HD13 ILE A 106 45.839 -8.583 -5.187 1.00 0.00 H new ATOM 1634 N ALA A 107 47.404 -5.222 -4.355 1.00 0.00 N ATOM 1635 CA ALA A 107 47.760 -4.125 -5.246 1.00 0.00 C ATOM 1636 C ALA A 107 48.221 -2.908 -4.445 1.00 0.00 C ATOM 1637 O ALA A 107 49.240 -2.293 -4.764 1.00 0.00 O ATOM 1638 CB ALA A 107 46.560 -3.744 -6.114 1.00 0.00 C ATOM 0 H ALA A 107 46.548 -5.715 -4.609 1.00 0.00 H new ATOM 0 HA ALA A 107 48.579 -4.455 -5.885 1.00 0.00 H new ATOM 0 HB1 ALA A 107 46.836 -2.923 -6.776 1.00 0.00 H new ATOM 0 HB2 ALA A 107 46.254 -4.604 -6.710 1.00 0.00 H new ATOM 0 HB3 ALA A 107 45.733 -3.433 -5.475 1.00 0.00 H new ATOM 1644 N LEU A 108 47.468 -2.566 -3.402 1.00 0.00 N ATOM 1645 CA LEU A 108 47.815 -1.420 -2.567 1.00 0.00 C ATOM 1646 C LEU A 108 49.199 -1.597 -1.950 1.00 0.00 C ATOM 1647 O LEU A 108 50.018 -0.678 -1.967 1.00 0.00 O ATOM 1648 CB LEU A 108 46.777 -1.242 -1.453 1.00 0.00 C ATOM 1649 CG LEU A 108 46.225 0.184 -1.484 1.00 0.00 C ATOM 1650 CD1 LEU A 108 47.385 1.182 -1.453 1.00 0.00 C ATOM 1651 CD2 LEU A 108 45.409 0.390 -2.764 1.00 0.00 C ATOM 0 H LEU A 108 46.622 -3.060 -3.117 1.00 0.00 H new ATOM 0 HA LEU A 108 47.824 -0.532 -3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 108 45.966 -1.959 -1.581 1.00 0.00 H new ATOM 0 HB3 LEU A 108 47.232 -1.445 -0.483 1.00 0.00 H new ATOM 0 HG LEU A 108 45.585 0.343 -0.616 1.00 0.00 H new ATOM 0 HD11 LEU A 108 46.991 2.198 -1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 108 47.965 1.037 -0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 108 48.026 1.022 -2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 108 45.016 1.406 -2.785 1.00 0.00 H new ATOM 0 HD22 LEU A 108 46.048 0.230 -3.633 1.00 0.00 H new ATOM 0 HD23 LEU A 108 44.582 -0.319 -2.786 1.00 0.00 H new ATOM 1663 N SER A 109 49.457 -2.782 -1.401 1.00 0.00 N ATOM 1664 CA SER A 109 50.749 -3.054 -0.779 1.00 0.00 C ATOM 1665 C SER A 109 51.850 -3.105 -1.830 1.00 0.00 C ATOM 1666 O SER A 109 52.852 -2.398 -1.724 1.00 0.00 O ATOM 1667 CB SER A 109 50.697 -4.376 -0.013 1.00 0.00 C ATOM 1668 OG SER A 109 51.789 -4.437 0.896 1.00 0.00 O ATOM 0 H SER A 109 48.797 -3.560 -1.374 1.00 0.00 H new ATOM 0 HA SER A 109 50.972 -2.247 -0.081 1.00 0.00 H new ATOM 0 HB2 SER A 109 49.754 -4.459 0.528 1.00 0.00 H new ATOM 0 HB3 SER A 109 50.741 -5.214 -0.708 1.00 0.00 H new ATOM 0 HG SER A 109 51.757 -5.283 1.390 1.00 0.00 H new ATOM 1674 N LEU A 110 51.651 -3.925 -2.850 1.00 0.00 N ATOM 1675 CA LEU A 110 52.630 -4.032 -3.918 1.00 0.00 C ATOM 1676 C LEU A 110 53.028 -2.634 -4.360 1.00 0.00 C ATOM 1677 O LEU A 110 54.055 -2.437 -5.009 1.00 0.00 O ATOM 1678 CB LEU A 110 52.026 -4.788 -5.099 1.00 0.00 C ATOM 1679 CG LEU A 110 53.104 -5.632 -5.782 1.00 0.00 C ATOM 1680 CD1 LEU A 110 53.408 -6.865 -4.930 1.00 0.00 C ATOM 1681 CD2 LEU A 110 52.600 -6.077 -7.156 1.00 0.00 C ATOM 0 H LEU A 110 50.830 -4.520 -2.960 1.00 0.00 H new ATOM 0 HA LEU A 110 53.506 -4.573 -3.561 1.00 0.00 H new ATOM 0 HB2 LEU A 110 51.214 -5.428 -4.755 1.00 0.00 H new ATOM 0 HB3 LEU A 110 51.597 -4.084 -5.812 1.00 0.00 H new ATOM 0 HG LEU A 110 54.012 -5.039 -5.896 1.00 0.00 H new ATOM 0 HD11 LEU A 110 54.176 -7.465 -5.419 1.00 0.00 H new ATOM 0 HD12 LEU A 110 53.763 -6.551 -3.949 1.00 0.00 H new ATOM 0 HD13 LEU A 110 52.502 -7.460 -4.815 1.00 0.00 H new ATOM 0 HD21 LEU A 110 53.365 -6.679 -7.647 1.00 0.00 H new ATOM 0 HD22 LEU A 110 51.693 -6.670 -7.036 1.00 0.00 H new ATOM 0 HD23 LEU A 110 52.382 -5.200 -7.765 1.00 0.00 H new ATOM 1693 N ALA A 111 52.192 -1.668 -3.996 1.00 0.00 N ATOM 1694 CA ALA A 111 52.441 -0.276 -4.346 1.00 0.00 C ATOM 1695 C ALA A 111 53.460 0.341 -3.396 1.00 0.00 C ATOM 1696 O ALA A 111 54.503 0.842 -3.822 1.00 0.00 O ATOM 1697 CB ALA A 111 51.139 0.518 -4.270 1.00 0.00 C ATOM 0 H ALA A 111 51.338 -1.823 -3.460 1.00 0.00 H new ATOM 0 HA ALA A 111 52.835 -0.242 -5.362 1.00 0.00 H new ATOM 0 HB1 ALA A 111 51.331 1.558 -4.533 1.00 0.00 H new ATOM 0 HB2 ALA A 111 50.414 0.096 -4.966 1.00 0.00 H new ATOM 0 HB3 ALA A 111 50.741 0.467 -3.257 1.00 0.00 H new ATOM 1703 N GLU A 112 53.153 0.297 -2.104 1.00 0.00 N ATOM 1704 CA GLU A 112 54.050 0.854 -1.103 1.00 0.00 C ATOM 1705 C GLU A 112 55.473 0.399 -1.383 1.00 0.00 C ATOM 1706 O GLU A 112 56.439 1.056 -0.995 1.00 0.00 O ATOM 1707 CB GLU A 112 53.625 0.393 0.292 1.00 0.00 C ATOM 1708 CG GLU A 112 52.404 1.196 0.742 1.00 0.00 C ATOM 1709 CD GLU A 112 52.831 2.594 1.176 1.00 0.00 C ATOM 1710 OE1 GLU A 112 53.449 2.706 2.222 1.00 0.00 O ATOM 1711 OE2 GLU A 112 52.534 3.533 0.456 1.00 0.00 O ATOM 0 H GLU A 112 52.298 -0.115 -1.730 1.00 0.00 H new ATOM 0 HA GLU A 112 54.004 1.942 -1.147 1.00 0.00 H new ATOM 0 HB2 GLU A 112 53.390 -0.671 0.279 1.00 0.00 H new ATOM 0 HB3 GLU A 112 54.444 0.530 0.998 1.00 0.00 H new ATOM 0 HG2 GLU A 112 51.682 1.263 -0.072 1.00 0.00 H new ATOM 0 HG3 GLU A 112 51.907 0.686 1.567 1.00 0.00 H new ATOM 1718 N SER A 113 55.592 -0.728 -2.074 1.00 0.00 N ATOM 1719 CA SER A 113 56.902 -1.262 -2.417 1.00 0.00 C ATOM 1720 C SER A 113 57.353 -0.720 -3.764 1.00 0.00 C ATOM 1721 O SER A 113 58.482 -0.256 -3.911 1.00 0.00 O ATOM 1722 CB SER A 113 56.856 -2.789 -2.463 1.00 0.00 C ATOM 1723 OG SER A 113 56.673 -3.293 -1.146 1.00 0.00 O ATOM 0 H SER A 113 54.804 -1.285 -2.405 1.00 0.00 H new ATOM 0 HA SER A 113 57.614 -0.952 -1.652 1.00 0.00 H new ATOM 0 HB2 SER A 113 56.042 -3.121 -3.108 1.00 0.00 H new ATOM 0 HB3 SER A 113 57.780 -3.180 -2.889 1.00 0.00 H new ATOM 0 HG SER A 113 56.641 -4.272 -1.172 1.00 0.00 H new ATOM 1902 N GLU A 125 79.502 3.501 -6.406 1.00 0.00 N ATOM 1903 CA GLU A 125 79.935 4.251 -7.581 1.00 0.00 C ATOM 1904 C GLU A 125 81.065 5.206 -7.217 1.00 0.00 C ATOM 1905 O GLU A 125 82.149 5.152 -7.798 1.00 0.00 O ATOM 1906 CB GLU A 125 78.762 5.044 -8.159 1.00 0.00 C ATOM 1907 CG GLU A 125 79.266 5.949 -9.286 1.00 0.00 C ATOM 1908 CD GLU A 125 79.506 7.359 -8.757 1.00 0.00 C ATOM 1909 OE1 GLU A 125 79.479 7.530 -7.549 1.00 0.00 O ATOM 1910 OE2 GLU A 125 79.715 8.247 -9.566 1.00 0.00 O ATOM 0 HA GLU A 125 80.296 3.543 -8.327 1.00 0.00 H new ATOM 0 HB2 GLU A 125 78.000 4.363 -8.538 1.00 0.00 H new ATOM 0 HB3 GLU A 125 78.294 5.643 -7.378 1.00 0.00 H new ATOM 0 HG2 GLU A 125 80.190 5.546 -9.701 1.00 0.00 H new ATOM 0 HG3 GLU A 125 78.537 5.975 -10.096 1.00 0.00 H new ATOM 1917 N GLU A 126 80.802 6.082 -6.252 1.00 0.00 N ATOM 1918 CA GLU A 126 81.804 7.046 -5.816 1.00 0.00 C ATOM 1919 C GLU A 126 83.132 6.345 -5.553 1.00 0.00 C ATOM 1920 O GLU A 126 84.194 6.835 -5.940 1.00 0.00 O ATOM 1921 CB GLU A 126 81.329 7.751 -4.543 1.00 0.00 C ATOM 1922 CG GLU A 126 82.375 8.776 -4.103 1.00 0.00 C ATOM 1923 CD GLU A 126 81.691 9.953 -3.416 1.00 0.00 C ATOM 1924 OE1 GLU A 126 80.525 9.822 -3.080 1.00 0.00 O ATOM 1925 OE2 GLU A 126 82.343 10.967 -3.234 1.00 0.00 O ATOM 0 H GLU A 126 79.910 6.144 -5.761 1.00 0.00 H new ATOM 0 HA GLU A 126 81.946 7.785 -6.604 1.00 0.00 H new ATOM 0 HB2 GLU A 126 80.374 8.245 -4.724 1.00 0.00 H new ATOM 0 HB3 GLU A 126 81.165 7.021 -3.751 1.00 0.00 H new ATOM 0 HG2 GLU A 126 83.089 8.311 -3.423 1.00 0.00 H new ATOM 0 HG3 GLU A 126 82.940 9.126 -4.967 1.00 0.00 H new ATOM 1932 N GLN A 127 83.062 5.190 -4.900 1.00 0.00 N ATOM 1933 CA GLN A 127 84.262 4.421 -4.594 1.00 0.00 C ATOM 1934 C GLN A 127 84.977 4.025 -5.880 1.00 0.00 C ATOM 1935 O GLN A 127 86.196 4.161 -5.992 1.00 0.00 O ATOM 1936 CB GLN A 127 83.889 3.164 -3.806 1.00 0.00 C ATOM 1937 CG GLN A 127 85.115 2.661 -3.043 1.00 0.00 C ATOM 1938 CD GLN A 127 84.962 1.177 -2.728 1.00 0.00 C ATOM 1939 OE1 GLN A 127 85.878 0.558 -2.188 1.00 0.00 O ATOM 1940 NE2 GLN A 127 83.850 0.564 -3.035 1.00 0.00 N ATOM 0 H GLN A 127 82.192 4.768 -4.574 1.00 0.00 H new ATOM 0 HA GLN A 127 84.929 5.039 -3.993 1.00 0.00 H new ATOM 0 HB2 GLN A 127 83.079 3.384 -3.110 1.00 0.00 H new ATOM 0 HB3 GLN A 127 83.526 2.391 -4.483 1.00 0.00 H new ATOM 0 HG2 GLN A 127 86.015 2.824 -3.636 1.00 0.00 H new ATOM 0 HG3 GLN A 127 85.236 3.227 -2.119 1.00 0.00 H new ATOM 0 HE21 GLN A 127 83.091 1.078 -3.483 1.00 0.00 H new ATOM 0 HE22 GLN A 127 83.741 -0.429 -2.827 1.00 0.00 H new ATOM 1949 N ALA A 128 84.211 3.535 -6.849 1.00 0.00 N ATOM 1950 CA ALA A 128 84.783 3.124 -8.124 1.00 0.00 C ATOM 1951 C ALA A 128 85.649 4.238 -8.701 1.00 0.00 C ATOM 1952 O ALA A 128 86.844 4.053 -8.931 1.00 0.00 O ATOM 1953 CB ALA A 128 83.666 2.781 -9.112 1.00 0.00 C ATOM 0 H ALA A 128 83.201 3.414 -6.776 1.00 0.00 H new ATOM 0 HA ALA A 128 85.403 2.243 -7.958 1.00 0.00 H new ATOM 0 HB1 ALA A 128 84.102 2.475 -10.063 1.00 0.00 H new ATOM 0 HB2 ALA A 128 83.063 1.967 -8.711 1.00 0.00 H new ATOM 0 HB3 ALA A 128 83.036 3.657 -9.267 1.00 0.00 H new ATOM 1959 N ILE A 129 85.037 5.394 -8.930 1.00 0.00 N ATOM 1960 CA ILE A 129 85.758 6.536 -9.480 1.00 0.00 C ATOM 1961 C ILE A 129 87.123 6.685 -8.816 1.00 0.00 C ATOM 1962 O ILE A 129 88.152 6.710 -9.493 1.00 0.00 O ATOM 1963 CB ILE A 129 84.942 7.813 -9.268 1.00 0.00 C ATOM 1964 CG1 ILE A 129 83.650 7.728 -10.086 1.00 0.00 C ATOM 1965 CG2 ILE A 129 85.759 9.025 -9.721 1.00 0.00 C ATOM 1966 CD1 ILE A 129 83.896 8.268 -11.497 1.00 0.00 C ATOM 0 H ILE A 129 84.049 5.565 -8.745 1.00 0.00 H new ATOM 0 HA ILE A 129 85.907 6.369 -10.547 1.00 0.00 H new ATOM 0 HB ILE A 129 84.698 7.920 -8.211 1.00 0.00 H new ATOM 0 HG12 ILE A 129 83.307 6.694 -10.136 1.00 0.00 H new ATOM 0 HG13 ILE A 129 82.861 8.302 -9.599 1.00 0.00 H new ATOM 0 HG21 ILE A 129 85.176 9.934 -9.569 1.00 0.00 H new ATOM 0 HG22 ILE A 129 86.679 9.082 -9.139 1.00 0.00 H new ATOM 0 HG23 ILE A 129 86.005 8.924 -10.778 1.00 0.00 H new ATOM 0 HD11 ILE A 129 82.975 8.206 -12.076 1.00 0.00 H new ATOM 0 HD12 ILE A 129 84.218 9.308 -11.438 1.00 0.00 H new ATOM 0 HD13 ILE A 129 84.671 7.675 -11.983 1.00 0.00 H new ATOM 1978 N SER A 130 87.126 6.786 -7.491 1.00 0.00 N ATOM 1979 CA SER A 130 88.374 6.934 -6.749 1.00 0.00 C ATOM 1980 C SER A 130 89.419 5.940 -7.246 1.00 0.00 C ATOM 1981 O SER A 130 90.543 6.320 -7.577 1.00 0.00 O ATOM 1982 CB SER A 130 88.125 6.713 -5.258 1.00 0.00 C ATOM 1983 OG SER A 130 89.240 6.039 -4.689 1.00 0.00 O ATOM 0 H SER A 130 86.286 6.768 -6.912 1.00 0.00 H new ATOM 0 HA SER A 130 88.749 7.945 -6.909 1.00 0.00 H new ATOM 0 HB2 SER A 130 87.970 7.669 -4.758 1.00 0.00 H new ATOM 0 HB3 SER A 130 87.218 6.126 -5.112 1.00 0.00 H new ATOM 0 HG SER A 130 89.083 5.898 -3.732 1.00 0.00 H new ATOM 1989 N ARG A 131 89.043 4.667 -7.296 1.00 0.00 N ATOM 1990 CA ARG A 131 89.957 3.627 -7.755 1.00 0.00 C ATOM 1991 C ARG A 131 90.657 4.057 -9.041 1.00 0.00 C ATOM 1992 O ARG A 131 91.878 3.949 -9.159 1.00 0.00 O ATOM 1993 CB ARG A 131 89.184 2.328 -8.000 1.00 0.00 C ATOM 1994 CG ARG A 131 90.145 1.227 -8.469 1.00 0.00 C ATOM 1995 CD ARG A 131 90.473 0.289 -7.303 1.00 0.00 C ATOM 1996 NE ARG A 131 91.437 0.916 -6.406 1.00 0.00 N ATOM 1997 CZ ARG A 131 91.582 0.500 -5.153 1.00 0.00 C ATOM 1998 NH1 ARG A 131 90.854 -0.484 -4.703 1.00 0.00 N ATOM 1999 NH2 ARG A 131 92.455 1.076 -4.373 1.00 0.00 N ATOM 0 H ARG A 131 88.118 4.332 -7.026 1.00 0.00 H new ATOM 0 HA ARG A 131 90.710 3.463 -6.984 1.00 0.00 H new ATOM 0 HB2 ARG A 131 88.680 2.017 -7.085 1.00 0.00 H new ATOM 0 HB3 ARG A 131 88.411 2.491 -8.750 1.00 0.00 H new ATOM 0 HG2 ARG A 131 89.694 0.663 -9.285 1.00 0.00 H new ATOM 0 HG3 ARG A 131 91.061 1.673 -8.857 1.00 0.00 H new ATOM 0 HD2 ARG A 131 89.562 0.045 -6.756 1.00 0.00 H new ATOM 0 HD3 ARG A 131 90.877 -0.649 -7.684 1.00 0.00 H new ATOM 0 HE ARG A 131 92.010 1.688 -6.747 1.00 0.00 H new ATOM 0 HH11 ARG A 131 90.173 -0.935 -5.313 1.00 0.00 H new ATOM 0 HH12 ARG A 131 90.966 -0.803 -3.741 1.00 0.00 H new ATOM 0 HH21 ARG A 131 93.025 1.845 -4.726 1.00 0.00 H new ATOM 0 HH22 ARG A 131 92.567 0.758 -3.411 1.00 0.00 H new ATOM 2013 N VAL A 132 89.876 4.542 -10.001 1.00 0.00 N ATOM 2014 CA VAL A 132 90.432 4.981 -11.275 1.00 0.00 C ATOM 2015 C VAL A 132 91.365 6.172 -11.077 1.00 0.00 C ATOM 2016 O VAL A 132 92.522 6.143 -11.495 1.00 0.00 O ATOM 2017 CB VAL A 132 89.302 5.370 -12.231 1.00 0.00 C ATOM 2018 CG1 VAL A 132 89.881 5.641 -13.621 1.00 0.00 C ATOM 2019 CG2 VAL A 132 88.292 4.224 -12.315 1.00 0.00 C ATOM 0 H VAL A 132 88.864 4.640 -9.922 1.00 0.00 H new ATOM 0 HA VAL A 132 91.003 4.156 -11.701 1.00 0.00 H new ATOM 0 HB VAL A 132 88.806 6.268 -11.863 1.00 0.00 H new ATOM 0 HG11 VAL A 132 89.077 5.918 -14.302 1.00 0.00 H new ATOM 0 HG12 VAL A 132 90.603 6.455 -13.562 1.00 0.00 H new ATOM 0 HG13 VAL A 132 90.376 4.743 -13.990 1.00 0.00 H new ATOM 0 HG21 VAL A 132 87.486 4.499 -12.995 1.00 0.00 H new ATOM 0 HG22 VAL A 132 88.789 3.327 -12.685 1.00 0.00 H new ATOM 0 HG23 VAL A 132 87.880 4.029 -11.325 1.00 0.00 H new ATOM 2029 N LEU A 133 90.853 7.221 -10.440 1.00 0.00 N ATOM 2030 CA LEU A 133 91.650 8.419 -10.194 1.00 0.00 C ATOM 2031 C LEU A 133 92.996 8.056 -9.576 1.00 0.00 C ATOM 2032 O LEU A 133 94.034 8.583 -9.974 1.00 0.00 O ATOM 2033 CB LEU A 133 90.895 9.367 -9.259 1.00 0.00 C ATOM 2034 CG LEU A 133 90.050 10.336 -10.089 1.00 0.00 C ATOM 2035 CD1 LEU A 133 90.969 11.316 -10.823 1.00 0.00 C ATOM 2036 CD2 LEU A 133 89.227 9.546 -11.110 1.00 0.00 C ATOM 0 H LEU A 133 89.897 7.267 -10.087 1.00 0.00 H new ATOM 0 HA LEU A 133 91.826 8.914 -11.149 1.00 0.00 H new ATOM 0 HB2 LEU A 133 90.256 8.797 -8.584 1.00 0.00 H new ATOM 0 HB3 LEU A 133 91.600 9.921 -8.639 1.00 0.00 H new ATOM 0 HG LEU A 133 89.380 10.890 -9.431 1.00 0.00 H new ATOM 0 HD11 LEU A 133 90.367 12.006 -11.414 1.00 0.00 H new ATOM 0 HD12 LEU A 133 91.556 11.878 -10.097 1.00 0.00 H new ATOM 0 HD13 LEU A 133 91.639 10.763 -11.482 1.00 0.00 H new ATOM 0 HD21 LEU A 133 88.624 10.234 -11.702 1.00 0.00 H new ATOM 0 HD22 LEU A 133 89.897 8.992 -11.768 1.00 0.00 H new ATOM 0 HD23 LEU A 133 88.573 8.848 -10.588 1.00 0.00 H new ATOM 2048 N GLU A 134 92.971 7.155 -8.600 1.00 0.00 N ATOM 2049 CA GLU A 134 94.197 6.731 -7.934 1.00 0.00 C ATOM 2050 C GLU A 134 95.117 6.007 -8.913 1.00 0.00 C ATOM 2051 O GLU A 134 96.237 6.449 -9.168 1.00 0.00 O ATOM 2052 CB GLU A 134 93.861 5.806 -6.763 1.00 0.00 C ATOM 2053 CG GLU A 134 93.188 6.612 -5.650 1.00 0.00 C ATOM 2054 CD GLU A 134 94.246 7.246 -4.754 1.00 0.00 C ATOM 2055 OE1 GLU A 134 94.934 8.136 -5.222 1.00 0.00 O ATOM 2056 OE2 GLU A 134 94.352 6.830 -3.611 1.00 0.00 O ATOM 0 H GLU A 134 92.122 6.707 -8.254 1.00 0.00 H new ATOM 0 HA GLU A 134 94.711 7.617 -7.560 1.00 0.00 H new ATOM 0 HB2 GLU A 134 93.201 5.005 -7.096 1.00 0.00 H new ATOM 0 HB3 GLU A 134 94.769 5.334 -6.387 1.00 0.00 H new ATOM 0 HG2 GLU A 134 92.554 7.386 -6.082 1.00 0.00 H new ATOM 0 HG3 GLU A 134 92.541 5.963 -5.060 1.00 0.00 H new ATOM 2063 N ALA A 135 94.636 4.894 -9.459 1.00 0.00 N ATOM 2064 CA ALA A 135 95.423 4.119 -10.412 1.00 0.00 C ATOM 2065 C ALA A 135 96.139 5.045 -11.389 1.00 0.00 C ATOM 2066 O ALA A 135 97.218 4.725 -11.888 1.00 0.00 O ATOM 2067 CB ALA A 135 94.512 3.164 -11.186 1.00 0.00 C ATOM 0 H ALA A 135 93.712 4.511 -9.260 1.00 0.00 H new ATOM 0 HA ALA A 135 96.167 3.544 -9.860 1.00 0.00 H new ATOM 0 HB1 ALA A 135 95.107 2.589 -11.896 1.00 0.00 H new ATOM 0 HB2 ALA A 135 94.021 2.485 -10.489 1.00 0.00 H new ATOM 0 HB3 ALA A 135 93.758 3.737 -11.725 1.00 0.00 H new ATOM 2073 N SER A 136 95.527 6.193 -11.658 1.00 0.00 N ATOM 2074 CA SER A 136 96.110 7.163 -12.578 1.00 0.00 C ATOM 2075 C SER A 136 97.330 7.828 -11.950 1.00 0.00 C ATOM 2076 O SER A 136 98.459 7.621 -12.394 1.00 0.00 O ATOM 2077 CB SER A 136 95.075 8.227 -12.940 1.00 0.00 C ATOM 2078 OG SER A 136 95.379 8.760 -14.222 1.00 0.00 O ATOM 0 H SER A 136 94.633 6.474 -11.255 1.00 0.00 H new ATOM 0 HA SER A 136 96.421 6.639 -13.482 1.00 0.00 H new ATOM 0 HB2 SER A 136 94.075 7.793 -12.942 1.00 0.00 H new ATOM 0 HB3 SER A 136 95.076 9.021 -12.193 1.00 0.00 H new ATOM 0 HG SER A 136 94.716 9.442 -14.458 1.00 0.00 H new